USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -1.85 F(o=-2.7,f=-1.8) USER MOD Single : A 4 CYS SG : rot -9:sc= -1.78 USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= -0.245 (180deg=-2.41!) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.4!) USER MOD Single : A 38 SER OG : rot -170:sc= -0.982 USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00456 USER MOD Single : A 42 ASN : amide:sc= -0.0102 K(o=-0.01,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc=-0.00203 X(o=-0.002,f=-0.078) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0101) USER MOD Single : A 50 SER OG : rot -95:sc= 0.553 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc=-0.00657 X(o=-0.0066,f=-0.0066) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.946 12.625 1.649 1.00 0.00 N ATOM 2 CA MET A 1 -2.900 12.522 2.784 1.00 0.00 C ATOM 3 C MET A 1 -2.971 11.094 3.315 1.00 0.00 C ATOM 4 O MET A 1 -3.037 10.137 2.543 1.00 0.00 O ATOM 5 CB MET A 1 -4.280 12.975 2.304 1.00 0.00 C ATOM 6 CG MET A 1 -5.300 13.108 3.425 1.00 0.00 C ATOM 7 SD MET A 1 -6.819 12.192 3.099 1.00 0.00 S ATOM 8 CE MET A 1 -7.976 13.074 4.144 1.00 0.00 C ATOM 0 H1 MET A 1 -1.918 13.607 1.307 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.997 12.341 1.966 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.255 11.999 0.878 1.00 0.00 H new ATOM 0 HA MET A 1 -2.557 13.160 3.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.182 13.935 1.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.652 12.262 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.859 12.752 4.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.540 14.161 3.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.965 12.625 4.052 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.646 13.016 5.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.022 14.118 3.835 1.00 0.00 H new ATOM 20 N ARG A 2 -2.958 10.958 4.638 1.00 0.00 N ATOM 21 CA ARG A 2 -3.021 9.647 5.273 1.00 0.00 C ATOM 22 C ARG A 2 -1.816 8.795 4.887 1.00 0.00 C ATOM 23 O ARG A 2 -1.274 8.930 3.790 1.00 0.00 O ATOM 24 CB ARG A 2 -4.315 8.929 4.883 1.00 0.00 C ATOM 25 CG ARG A 2 -5.498 9.276 5.772 1.00 0.00 C ATOM 26 CD ARG A 2 -6.565 8.194 5.725 1.00 0.00 C ATOM 27 NE ARG A 2 -7.902 8.732 5.972 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.027 8.090 5.666 1.00 0.00 C ATOM 29 NH1 ARG A 2 -8.981 6.889 5.102 1.00 0.00 N ATOM 30 NH2 ARG A 2 -10.201 8.649 5.925 1.00 0.00 N ATOM 0 H ARG A 2 -2.904 11.740 5.290 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.007 9.794 6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.562 9.179 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.148 7.852 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.157 9.408 6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.927 10.226 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.545 7.707 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.339 7.429 6.468 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.977 9.653 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.081 6.454 4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.846 6.401 4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.242 9.571 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.063 8.157 5.690 1.00 0.00 H new ATOM 44 N GLN A 3 -1.401 7.918 5.795 1.00 0.00 N ATOM 45 CA GLN A 3 -0.260 7.044 5.547 1.00 0.00 C ATOM 46 C GLN A 3 -0.461 5.687 6.212 1.00 0.00 C ATOM 47 O GLN A 3 -1.028 5.595 7.301 1.00 0.00 O ATOM 48 CB GLN A 3 1.026 7.692 6.061 1.00 0.00 C ATOM 49 CG GLN A 3 2.280 6.895 5.741 1.00 0.00 C ATOM 50 CD GLN A 3 3.251 6.842 6.904 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.425 5.657 7.476 1.00 0.00 O flip ATOM 52 NE2 GLN A 3 3.838 7.855 7.285 1.00 0.00 N flip ATOM 0 H GLN A 3 -1.837 7.794 6.709 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.177 6.892 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.119 8.688 5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.952 7.819 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.999 5.880 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.777 7.338 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.674 8.746 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.488 7.803 8.069 1.00 0.00 H new ATOM 61 N CYS A 4 0.009 4.635 5.551 1.00 0.00 N ATOM 62 CA CYS A 4 -0.117 3.280 6.077 1.00 0.00 C ATOM 63 C CYS A 4 1.065 2.419 5.646 1.00 0.00 C ATOM 64 O CYS A 4 1.550 2.534 4.521 1.00 0.00 O ATOM 65 CB CYS A 4 -1.425 2.646 5.600 1.00 0.00 C ATOM 66 SG CYS A 4 -2.890 3.666 5.891 1.00 0.00 S ATOM 0 H CYS A 4 0.481 4.694 4.649 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.125 3.337 7.165 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.347 2.437 4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.557 1.688 6.103 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.570 4.682 6.637 1.00 0.00 H new ATOM 72 N LYS A 5 1.523 1.553 6.545 1.00 0.00 N ATOM 73 CA LYS A 5 2.647 0.674 6.247 1.00 0.00 C ATOM 74 C LYS A 5 2.242 -0.795 6.351 1.00 0.00 C ATOM 75 O LYS A 5 1.718 -1.237 7.370 1.00 0.00 O ATOM 76 CB LYS A 5 3.805 0.964 7.204 1.00 0.00 C ATOM 77 CG LYS A 5 5.020 0.077 6.984 1.00 0.00 C ATOM 78 CD LYS A 5 6.016 0.205 8.126 1.00 0.00 C ATOM 79 CE LYS A 5 5.542 -0.536 9.367 1.00 0.00 C ATOM 80 NZ LYS A 5 5.533 0.343 10.569 1.00 0.00 N ATOM 0 H LYS A 5 1.135 1.442 7.482 1.00 0.00 H new ATOM 0 HA LYS A 5 2.966 0.867 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.103 2.007 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.457 0.839 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.702 -0.961 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.504 0.347 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.983 -0.190 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.164 1.258 8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.539 -0.927 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.191 -1.393 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.999 -0.146 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.043 1.225 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.551 0.565 10.830 1.00 0.00 H new ATOM 94 N VAL A 6 2.501 -1.540 5.283 1.00 0.00 N ATOM 95 CA VAL A 6 2.182 -2.964 5.221 1.00 0.00 C ATOM 96 C VAL A 6 2.976 -3.754 6.259 1.00 0.00 C ATOM 97 O VAL A 6 4.132 -3.439 6.541 1.00 0.00 O ATOM 98 CB VAL A 6 2.471 -3.547 3.821 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.723 -4.855 3.624 1.00 0.00 C ATOM 100 CG2 VAL A 6 2.106 -2.550 2.728 1.00 0.00 C ATOM 0 H VAL A 6 2.937 -1.176 4.436 1.00 0.00 H new ATOM 0 HA VAL A 6 1.117 -3.056 5.434 1.00 0.00 H new ATOM 0 HB VAL A 6 3.540 -3.746 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.939 -5.252 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.042 -5.574 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.652 -4.679 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.319 -2.986 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.045 -2.310 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.692 -1.640 2.855 1.00 0.00 H new ATOM 110 N LEU A 7 2.346 -4.779 6.825 1.00 0.00 N ATOM 111 CA LEU A 7 2.995 -5.612 7.835 1.00 0.00 C ATOM 112 C LEU A 7 3.691 -6.815 7.202 1.00 0.00 C ATOM 113 O LEU A 7 4.655 -7.345 7.753 1.00 0.00 O ATOM 114 CB LEU A 7 1.979 -6.089 8.880 1.00 0.00 C ATOM 115 CG LEU A 7 0.607 -6.501 8.333 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.736 -7.684 7.385 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.339 -6.835 9.475 1.00 0.00 C ATOM 0 H LEU A 7 1.389 -5.053 6.603 1.00 0.00 H new ATOM 0 HA LEU A 7 3.750 -4.999 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.406 -6.937 9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.835 -5.292 9.610 1.00 0.00 H new ATOM 0 HG LEU A 7 0.195 -5.661 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.250 -7.959 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.380 -7.412 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.170 -8.531 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.309 -7.126 9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.072 -7.658 10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.460 -5.961 10.115 1.00 0.00 H new ATOM 129 N PHE A 8 3.195 -7.246 6.046 1.00 0.00 N ATOM 130 CA PHE A 8 3.770 -8.390 5.347 1.00 0.00 C ATOM 131 C PHE A 8 4.100 -8.039 3.899 1.00 0.00 C ATOM 132 O PHE A 8 3.861 -6.918 3.451 1.00 0.00 O ATOM 133 CB PHE A 8 2.806 -9.578 5.392 1.00 0.00 C ATOM 134 CG PHE A 8 3.267 -10.691 6.290 1.00 0.00 C ATOM 135 CD1 PHE A 8 4.396 -11.430 5.975 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.571 -10.998 7.449 1.00 0.00 C ATOM 137 CE1 PHE A 8 4.823 -12.454 6.799 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.993 -12.021 8.276 1.00 0.00 C ATOM 139 CZ PHE A 8 4.120 -12.750 7.951 1.00 0.00 C ATOM 0 H PHE A 8 2.397 -6.821 5.574 1.00 0.00 H new ATOM 0 HA PHE A 8 4.697 -8.663 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.829 -9.231 5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.674 -9.967 4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.949 -11.203 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.689 -10.431 7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.705 -13.022 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.442 -12.250 9.176 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.451 -13.550 8.596 1.00 0.00 H new ATOM 149 N GLU A 9 4.651 -9.005 3.171 1.00 0.00 N ATOM 150 CA GLU A 9 5.013 -8.797 1.774 1.00 0.00 C ATOM 151 C GLU A 9 3.895 -9.262 0.846 1.00 0.00 C ATOM 152 O GLU A 9 3.104 -10.136 1.201 1.00 0.00 O ATOM 153 CB GLU A 9 6.309 -9.541 1.445 1.00 0.00 C ATOM 154 CG GLU A 9 7.559 -8.698 1.638 1.00 0.00 C ATOM 155 CD GLU A 9 8.757 -9.252 0.892 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.924 -8.912 -0.298 1.00 0.00 O ATOM 157 OE2 GLU A 9 9.528 -10.025 1.497 1.00 0.00 O ATOM 0 H GLU A 9 4.856 -9.939 3.525 1.00 0.00 H new ATOM 0 HA GLU A 9 5.166 -7.729 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.379 -10.429 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.269 -9.885 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.363 -7.681 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.793 -8.640 2.701 1.00 0.00 H new ATOM 164 N TYR A 10 3.837 -8.672 -0.343 1.00 0.00 N ATOM 165 CA TYR A 10 2.816 -9.024 -1.323 1.00 0.00 C ATOM 166 C TYR A 10 3.449 -9.381 -2.664 1.00 0.00 C ATOM 167 O TYR A 10 4.451 -8.790 -3.066 1.00 0.00 O ATOM 168 CB TYR A 10 1.832 -7.865 -1.503 1.00 0.00 C ATOM 169 CG TYR A 10 0.737 -8.146 -2.508 1.00 0.00 C ATOM 170 CD1 TYR A 10 0.051 -9.354 -2.497 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.390 -7.203 -3.467 1.00 0.00 C ATOM 172 CE1 TYR A 10 -0.950 -9.614 -3.414 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.611 -7.455 -4.386 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.277 -8.662 -4.355 1.00 0.00 C ATOM 175 OH TYR A 10 -2.274 -8.917 -5.269 1.00 0.00 O ATOM 0 H TYR A 10 4.485 -7.947 -0.652 1.00 0.00 H new ATOM 0 HA TYR A 10 2.277 -9.896 -0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.378 -7.633 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.383 -6.978 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.304 -10.102 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.911 -6.257 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.473 -10.559 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.870 -6.711 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.935 -9.521 -4.872 1.00 0.00 H new ATOM 185 N ILE A 11 2.857 -10.351 -3.354 1.00 0.00 N ATOM 186 CA ILE A 11 3.363 -10.785 -4.651 1.00 0.00 C ATOM 187 C ILE A 11 2.324 -10.556 -5.750 1.00 0.00 C ATOM 188 O ILE A 11 1.326 -11.273 -5.830 1.00 0.00 O ATOM 189 CB ILE A 11 3.762 -12.277 -4.629 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.376 -12.688 -5.970 1.00 0.00 C ATOM 191 CG2 ILE A 11 2.558 -13.149 -4.300 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.879 -12.862 -5.919 1.00 0.00 C ATOM 0 H ILE A 11 2.027 -10.851 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 11 4.249 -10.187 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 11 4.511 -12.421 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.921 -13.623 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.131 -11.935 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.859 -14.196 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.166 -12.874 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.785 -13.002 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.245 -13.153 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.344 -11.922 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.131 -13.636 -5.194 1.00 0.00 H new ATOM 204 N PRO A 12 2.543 -9.549 -6.616 1.00 0.00 N ATOM 205 CA PRO A 12 1.619 -9.235 -7.708 1.00 0.00 C ATOM 206 C PRO A 12 1.760 -10.196 -8.883 1.00 0.00 C ATOM 207 O PRO A 12 2.827 -10.768 -9.105 1.00 0.00 O ATOM 208 CB PRO A 12 2.037 -7.825 -8.117 1.00 0.00 C ATOM 209 CG PRO A 12 3.494 -7.765 -7.810 1.00 0.00 C ATOM 210 CD PRO A 12 3.705 -8.637 -6.599 1.00 0.00 C ATOM 0 HA PRO A 12 0.576 -9.318 -7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.846 -7.646 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.482 -7.069 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.085 -8.121 -8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.808 -6.740 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.645 -9.185 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.738 -8.048 -5.682 1.00 0.00 H new ATOM 218 N GLN A 13 0.677 -10.366 -9.635 1.00 0.00 N ATOM 219 CA GLN A 13 0.681 -11.256 -10.790 1.00 0.00 C ATOM 220 C GLN A 13 0.519 -10.466 -12.085 1.00 0.00 C ATOM 221 O GLN A 13 1.092 -10.820 -13.116 1.00 0.00 O ATOM 222 CB GLN A 13 -0.439 -12.292 -10.668 1.00 0.00 C ATOM 223 CG GLN A 13 -0.119 -13.615 -11.344 1.00 0.00 C ATOM 224 CD GLN A 13 -0.448 -14.811 -10.472 1.00 0.00 C ATOM 225 OE1 GLN A 13 -1.593 -14.997 -10.059 1.00 0.00 O ATOM 226 NE2 GLN A 13 0.558 -15.630 -10.187 1.00 0.00 N ATOM 0 H GLN A 13 -0.214 -9.899 -9.465 1.00 0.00 H new ATOM 0 HA GLN A 13 1.641 -11.771 -10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.642 -12.473 -9.612 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.351 -11.882 -11.103 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.678 -13.686 -12.277 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.939 -13.639 -11.603 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.491 -15.437 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.397 -16.452 -9.604 1.00 0.00 H new ATOM 235 N ASN A 14 -0.264 -9.394 -12.023 1.00 0.00 N ATOM 236 CA ASN A 14 -0.500 -8.551 -13.190 1.00 0.00 C ATOM 237 C ASN A 14 0.301 -7.257 -13.097 1.00 0.00 C ATOM 238 O ASN A 14 0.780 -6.888 -12.025 1.00 0.00 O ATOM 239 CB ASN A 14 -1.991 -8.233 -13.321 1.00 0.00 C ATOM 240 CG ASN A 14 -2.813 -9.454 -13.686 1.00 0.00 C ATOM 241 OD1 ASN A 14 -3.265 -9.595 -14.822 1.00 0.00 O ATOM 242 ND2 ASN A 14 -3.010 -10.345 -12.721 1.00 0.00 N ATOM 0 H ASN A 14 -0.746 -9.088 -11.178 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.172 -9.097 -14.075 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.356 -7.821 -12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.130 -7.464 -14.081 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.555 -11.187 -12.908 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.616 -10.187 -11.793 1.00 0.00 H new ATOM 249 N GLU A 15 0.443 -6.572 -14.227 1.00 0.00 N ATOM 250 CA GLU A 15 1.186 -5.318 -14.272 1.00 0.00 C ATOM 251 C GLU A 15 0.475 -4.234 -13.468 1.00 0.00 C ATOM 252 O GLU A 15 1.114 -3.344 -12.906 1.00 0.00 O ATOM 253 CB GLU A 15 1.366 -4.859 -15.720 1.00 0.00 C ATOM 254 CG GLU A 15 0.055 -4.682 -16.470 1.00 0.00 C ATOM 255 CD GLU A 15 -0.141 -3.267 -16.977 1.00 0.00 C ATOM 256 OE1 GLU A 15 0.210 -2.319 -16.243 1.00 0.00 O ATOM 257 OE2 GLU A 15 -0.646 -3.106 -18.108 1.00 0.00 O ATOM 0 H GLU A 15 0.054 -6.864 -15.123 1.00 0.00 H new ATOM 0 HA GLU A 15 2.166 -5.490 -13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.910 -3.914 -15.728 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.982 -5.586 -16.249 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.027 -5.373 -17.313 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.774 -4.946 -15.813 1.00 0.00 H new ATOM 264 N ASP A 16 -0.850 -4.315 -13.418 1.00 0.00 N ATOM 265 CA ASP A 16 -1.650 -3.341 -12.682 1.00 0.00 C ATOM 266 C ASP A 16 -1.466 -3.498 -11.173 1.00 0.00 C ATOM 267 O ASP A 16 -1.858 -2.624 -10.400 1.00 0.00 O ATOM 268 CB ASP A 16 -3.129 -3.491 -13.044 1.00 0.00 C ATOM 269 CG ASP A 16 -3.453 -2.910 -14.406 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.521 -2.755 -15.223 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.640 -2.610 -14.657 1.00 0.00 O ATOM 0 H ASP A 16 -1.394 -5.045 -13.878 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.308 -2.345 -12.965 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.398 -4.547 -13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.737 -2.996 -12.287 1.00 0.00 H new ATOM 276 N GLU A 17 -0.870 -4.613 -10.758 1.00 0.00 N ATOM 277 CA GLU A 17 -0.642 -4.873 -9.341 1.00 0.00 C ATOM 278 C GLU A 17 0.791 -4.529 -8.947 1.00 0.00 C ATOM 279 O GLU A 17 1.741 -4.889 -9.642 1.00 0.00 O ATOM 280 CB GLU A 17 -0.933 -6.339 -9.017 1.00 0.00 C ATOM 281 CG GLU A 17 -2.407 -6.701 -9.109 1.00 0.00 C ATOM 282 CD GLU A 17 -2.991 -7.117 -7.773 1.00 0.00 C ATOM 283 OE1 GLU A 17 -2.861 -6.344 -6.801 1.00 0.00 O ATOM 284 OE2 GLU A 17 -3.578 -8.217 -7.699 1.00 0.00 O ATOM 0 H GLU A 17 -0.537 -5.348 -11.382 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.319 -4.239 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.368 -6.973 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.576 -6.558 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.964 -5.847 -9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.534 -7.513 -9.825 1.00 0.00 H new ATOM 291 N LEU A 18 0.939 -3.830 -7.826 1.00 0.00 N ATOM 292 CA LEU A 18 2.255 -3.437 -7.337 1.00 0.00 C ATOM 293 C LEU A 18 2.742 -4.397 -6.256 1.00 0.00 C ATOM 294 O LEU A 18 1.959 -5.161 -5.693 1.00 0.00 O ATOM 295 CB LEU A 18 2.213 -2.010 -6.786 1.00 0.00 C ATOM 296 CG LEU A 18 3.496 -1.200 -6.987 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.169 0.249 -7.316 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.377 -1.280 -5.748 1.00 0.00 C ATOM 0 H LEU A 18 0.163 -3.524 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 18 2.952 -3.475 -8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.388 -1.478 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.993 -2.055 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 18 4.043 -1.627 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.094 0.808 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.579 0.290 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.599 0.688 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.285 -0.698 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.836 -0.879 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.642 -2.320 -5.556 1.00 0.00 H new ATOM 310 N GLU A 19 4.040 -4.353 -5.973 1.00 0.00 N ATOM 311 CA GLU A 19 4.630 -5.221 -4.960 1.00 0.00 C ATOM 312 C GLU A 19 4.792 -4.483 -3.635 1.00 0.00 C ATOM 313 O GLU A 19 5.659 -3.620 -3.496 1.00 0.00 O ATOM 314 CB GLU A 19 5.988 -5.744 -5.435 1.00 0.00 C ATOM 315 CG GLU A 19 6.400 -7.050 -4.776 1.00 0.00 C ATOM 316 CD GLU A 19 7.488 -7.773 -5.546 1.00 0.00 C ATOM 317 OE1 GLU A 19 7.492 -7.685 -6.792 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.336 -8.427 -4.903 1.00 0.00 O ATOM 0 H GLU A 19 4.703 -3.726 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 19 3.957 -6.064 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.956 -5.886 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.749 -4.990 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.750 -6.848 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.529 -7.699 -4.689 1.00 0.00 H new ATOM 325 N LEU A 20 3.953 -4.829 -2.665 1.00 0.00 N ATOM 326 CA LEU A 20 4.003 -4.200 -1.350 1.00 0.00 C ATOM 327 C LEU A 20 5.089 -4.832 -0.486 1.00 0.00 C ATOM 328 O LEU A 20 4.978 -5.988 -0.079 1.00 0.00 O ATOM 329 CB LEU A 20 2.648 -4.321 -0.651 1.00 0.00 C ATOM 330 CG LEU A 20 1.478 -3.667 -1.388 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.208 -4.483 -1.205 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.274 -2.241 -0.899 1.00 0.00 C ATOM 0 H LEU A 20 3.230 -5.542 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 20 4.240 -3.145 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.423 -5.378 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.727 -3.876 0.341 1.00 0.00 H new ATOM 0 HG LEU A 20 1.713 -3.636 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.613 -4.002 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.360 -5.486 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.034 -4.546 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.438 -1.789 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.060 -2.250 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.178 -1.660 -1.083 1.00 0.00 H new ATOM 344 N LYS A 21 6.138 -4.066 -0.209 1.00 0.00 N ATOM 345 CA LYS A 21 7.243 -4.550 0.608 1.00 0.00 C ATOM 346 C LYS A 21 6.945 -4.357 2.092 1.00 0.00 C ATOM 347 O LYS A 21 6.425 -3.318 2.499 1.00 0.00 O ATOM 348 CB LYS A 21 8.537 -3.824 0.236 1.00 0.00 C ATOM 349 CG LYS A 21 8.916 -3.969 -1.229 1.00 0.00 C ATOM 350 CD LYS A 21 9.555 -2.699 -1.768 1.00 0.00 C ATOM 351 CE LYS A 21 10.373 -2.973 -3.020 1.00 0.00 C ATOM 352 NZ LYS A 21 11.834 -2.826 -2.772 1.00 0.00 N ATOM 0 H LYS A 21 6.246 -3.107 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 21 7.366 -5.616 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.431 -2.765 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.350 -4.208 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.608 -4.803 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.028 -4.207 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.779 -1.967 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.195 -2.260 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.165 -3.982 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.068 -2.287 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.356 -3.021 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.037 -1.856 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.131 -3.498 -2.036 1.00 0.00 H new ATOM 366 N VAL A 22 7.277 -5.362 2.894 1.00 0.00 N ATOM 367 CA VAL A 22 7.042 -5.298 4.331 1.00 0.00 C ATOM 368 C VAL A 22 7.924 -4.237 4.983 1.00 0.00 C ATOM 369 O VAL A 22 9.139 -4.220 4.786 1.00 0.00 O ATOM 370 CB VAL A 22 7.306 -6.660 5.004 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.752 -7.087 4.802 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.961 -6.604 6.485 1.00 0.00 C ATOM 0 H VAL A 22 7.709 -6.229 2.574 1.00 0.00 H new ATOM 0 HA VAL A 22 5.995 -5.031 4.472 1.00 0.00 H new ATOM 0 HB VAL A 22 6.663 -7.404 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.918 -8.050 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.960 -7.175 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.416 -6.342 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.155 -7.575 6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.573 -5.846 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.907 -6.351 6.604 1.00 0.00 H new ATOM 382 N GLY A 23 7.305 -3.356 5.761 1.00 0.00 N ATOM 383 CA GLY A 23 8.052 -2.307 6.430 1.00 0.00 C ATOM 384 C GLY A 23 8.183 -1.048 5.590 1.00 0.00 C ATOM 385 O GLY A 23 8.699 -0.035 6.060 1.00 0.00 O ATOM 0 H GLY A 23 6.301 -3.349 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.560 -2.061 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.047 -2.678 6.678 1.00 0.00 H new ATOM 389 N ASP A 24 7.719 -1.109 4.343 1.00 0.00 N ATOM 390 CA ASP A 24 7.795 0.038 3.447 1.00 0.00 C ATOM 391 C ASP A 24 6.603 0.967 3.648 1.00 0.00 C ATOM 392 O ASP A 24 5.476 0.514 3.847 1.00 0.00 O ATOM 393 CB ASP A 24 7.857 -0.428 1.991 1.00 0.00 C ATOM 394 CG ASP A 24 9.274 -0.450 1.452 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.735 0.596 0.950 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.924 -1.514 1.534 1.00 0.00 O ATOM 0 H ASP A 24 7.288 -1.938 3.934 1.00 0.00 H new ATOM 0 HA ASP A 24 8.705 0.591 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.426 -1.426 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.247 0.232 1.375 1.00 0.00 H new ATOM 401 N ILE A 25 6.861 2.270 3.597 1.00 0.00 N ATOM 402 CA ILE A 25 5.810 3.264 3.776 1.00 0.00 C ATOM 403 C ILE A 25 5.268 3.738 2.432 1.00 0.00 C ATOM 404 O ILE A 25 6.027 4.156 1.557 1.00 0.00 O ATOM 405 CB ILE A 25 6.319 4.483 4.568 1.00 0.00 C ATOM 406 CG1 ILE A 25 7.083 4.029 5.814 1.00 0.00 C ATOM 407 CG2 ILE A 25 5.158 5.388 4.952 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.221 3.294 6.817 1.00 0.00 C ATOM 0 H ILE A 25 7.789 2.661 3.433 1.00 0.00 H new ATOM 0 HA ILE A 25 5.011 2.781 4.339 1.00 0.00 H new ATOM 0 HB ILE A 25 7.001 5.049 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.905 3.381 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.525 4.900 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.534 6.245 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.654 5.736 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.453 4.833 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.828 3.002 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.413 3.946 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.799 2.403 6.351 1.00 0.00 H new ATOM 420 N ILE A 26 3.951 3.670 2.275 1.00 0.00 N ATOM 421 CA ILE A 26 3.304 4.091 1.038 1.00 0.00 C ATOM 422 C ILE A 26 2.239 5.147 1.309 1.00 0.00 C ATOM 423 O ILE A 26 1.359 4.955 2.148 1.00 0.00 O ATOM 424 CB ILE A 26 2.656 2.899 0.310 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.642 1.733 0.214 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.184 3.317 -1.075 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.055 0.496 -0.431 1.00 0.00 C ATOM 0 H ILE A 26 3.310 3.327 2.990 1.00 0.00 H new ATOM 0 HA ILE A 26 4.081 4.516 0.402 1.00 0.00 H new ATOM 0 HB ILE A 26 1.790 2.570 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.514 2.051 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.991 1.480 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.728 2.464 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.451 4.118 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.035 3.669 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.810 -0.289 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.200 0.152 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.731 0.733 -1.445 1.00 0.00 H new ATOM 439 N ASP A 27 2.324 6.263 0.592 1.00 0.00 N ATOM 440 CA ASP A 27 1.366 7.350 0.756 1.00 0.00 C ATOM 441 C ASP A 27 0.124 7.110 -0.097 1.00 0.00 C ATOM 442 O ASP A 27 0.208 7.015 -1.321 1.00 0.00 O ATOM 443 CB ASP A 27 2.009 8.686 0.379 1.00 0.00 C ATOM 444 CG ASP A 27 1.606 9.807 1.318 1.00 0.00 C ATOM 445 OD1 ASP A 27 1.800 9.655 2.542 1.00 0.00 O ATOM 446 OD2 ASP A 27 1.096 10.836 0.828 1.00 0.00 O ATOM 0 H ASP A 27 3.046 6.438 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 27 1.066 7.384 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.094 8.580 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.724 8.949 -0.640 1.00 0.00 H new ATOM 451 N ILE A 28 -1.028 7.014 0.559 1.00 0.00 N ATOM 452 CA ILE A 28 -2.288 6.786 -0.139 1.00 0.00 C ATOM 453 C ILE A 28 -2.908 8.101 -0.599 1.00 0.00 C ATOM 454 O ILE A 28 -2.988 9.063 0.166 1.00 0.00 O ATOM 455 CB ILE A 28 -3.299 6.036 0.751 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.555 6.812 2.044 1.00 0.00 C ATOM 457 CG2 ILE A 28 -2.795 4.634 1.059 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.621 6.191 2.920 1.00 0.00 C ATOM 0 H ILE A 28 -1.115 7.091 1.572 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.059 6.172 -1.010 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.242 5.953 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.625 6.878 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.850 7.831 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.520 4.117 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.663 4.082 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.840 4.697 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.750 6.794 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.563 6.150 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.319 5.182 3.200 1.00 0.00 H new ATOM 470 N ASN A 29 -3.343 8.137 -1.854 1.00 0.00 N ATOM 471 CA ASN A 29 -3.955 9.334 -2.417 1.00 0.00 C ATOM 472 C ASN A 29 -5.470 9.179 -2.511 1.00 0.00 C ATOM 473 O ASN A 29 -6.220 10.082 -2.141 1.00 0.00 O ATOM 474 CB ASN A 29 -3.375 9.626 -3.803 1.00 0.00 C ATOM 475 CG ASN A 29 -2.173 10.547 -3.744 1.00 0.00 C ATOM 476 OD1 ASN A 29 -1.763 10.985 -2.669 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.600 10.847 -4.905 1.00 0.00 N ATOM 0 H ASN A 29 -3.283 7.350 -2.501 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.733 10.170 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.088 8.688 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.145 10.078 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.787 11.463 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.973 10.461 -5.773 1.00 0.00 H new ATOM 484 N GLU A 30 -5.912 8.029 -3.008 1.00 0.00 N ATOM 485 CA GLU A 30 -7.337 7.755 -3.150 1.00 0.00 C ATOM 486 C GLU A 30 -7.588 6.261 -3.330 1.00 0.00 C ATOM 487 O GLU A 30 -6.816 5.568 -3.994 1.00 0.00 O ATOM 488 CB GLU A 30 -7.911 8.532 -4.338 1.00 0.00 C ATOM 489 CG GLU A 30 -8.778 9.712 -3.931 1.00 0.00 C ATOM 490 CD GLU A 30 -8.559 10.927 -4.809 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.394 10.752 -6.035 1.00 0.00 O ATOM 492 OE2 GLU A 30 -8.551 12.055 -4.272 1.00 0.00 O ATOM 0 H GLU A 30 -5.304 7.272 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.838 8.080 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.089 8.892 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.501 7.854 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.827 9.420 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.565 9.974 -2.895 1.00 0.00 H new ATOM 499 N GLU A 31 -8.670 5.772 -2.736 1.00 0.00 N ATOM 500 CA GLU A 31 -9.023 4.360 -2.830 1.00 0.00 C ATOM 501 C GLU A 31 -9.912 4.101 -4.042 1.00 0.00 C ATOM 502 O GLU A 31 -11.085 4.474 -4.055 1.00 0.00 O ATOM 503 CB GLU A 31 -9.734 3.904 -1.555 1.00 0.00 C ATOM 504 CG GLU A 31 -10.867 4.823 -1.129 1.00 0.00 C ATOM 505 CD GLU A 31 -10.443 5.818 -0.067 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.514 5.502 0.706 1.00 0.00 O ATOM 507 OE2 GLU A 31 -11.040 6.913 -0.007 1.00 0.00 O ATOM 0 H GLU A 31 -9.319 6.333 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.102 3.789 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.130 2.900 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.006 3.839 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.239 5.363 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.694 4.222 -0.750 1.00 0.00 H new ATOM 514 N VAL A 32 -9.345 3.459 -5.059 1.00 0.00 N ATOM 515 CA VAL A 32 -10.087 3.149 -6.275 1.00 0.00 C ATOM 516 C VAL A 32 -11.291 2.264 -5.973 1.00 0.00 C ATOM 517 O VAL A 32 -12.372 2.459 -6.527 1.00 0.00 O ATOM 518 CB VAL A 32 -9.193 2.445 -7.315 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.938 2.266 -8.629 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.903 3.225 -7.528 1.00 0.00 C ATOM 0 H VAL A 32 -8.375 3.144 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.431 4.098 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.935 1.457 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.290 1.767 -9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.829 1.661 -8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.230 3.242 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.285 2.712 -8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.139 4.227 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.360 3.295 -6.585 1.00 0.00 H new ATOM 530 N GLU A 33 -11.095 1.290 -5.090 1.00 0.00 N ATOM 531 CA GLU A 33 -12.166 0.374 -4.714 1.00 0.00 C ATOM 532 C GLU A 33 -12.056 -0.016 -3.243 1.00 0.00 C ATOM 533 O GLU A 33 -11.081 0.324 -2.572 1.00 0.00 O ATOM 534 CB GLU A 33 -12.124 -0.880 -5.589 1.00 0.00 C ATOM 535 CG GLU A 33 -12.330 -0.596 -7.068 1.00 0.00 C ATOM 536 CD GLU A 33 -12.880 -1.792 -7.820 1.00 0.00 C ATOM 537 OE1 GLU A 33 -13.752 -2.493 -7.265 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.439 -2.028 -8.965 1.00 0.00 O ATOM 0 H GLU A 33 -10.206 1.115 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.117 0.884 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.163 -1.376 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.892 -1.575 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.014 0.245 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.381 -0.297 -7.513 1.00 0.00 H new ATOM 545 N GLU A 34 -13.061 -0.730 -2.749 1.00 0.00 N ATOM 546 CA GLU A 34 -13.078 -1.166 -1.357 1.00 0.00 C ATOM 547 C GLU A 34 -12.002 -2.218 -1.102 1.00 0.00 C ATOM 548 O GLU A 34 -11.473 -2.323 0.004 1.00 0.00 O ATOM 549 CB GLU A 34 -14.455 -1.725 -0.992 1.00 0.00 C ATOM 550 CG GLU A 34 -14.997 -1.195 0.325 1.00 0.00 C ATOM 551 CD GLU A 34 -16.235 -0.338 0.146 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.237 -0.849 -0.399 1.00 0.00 O ATOM 553 OE2 GLU A 34 -16.204 0.843 0.550 1.00 0.00 O ATOM 0 H GLU A 34 -13.875 -1.019 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.868 -0.300 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.159 -1.483 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.394 -2.812 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.232 -2.034 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.224 -0.610 0.822 1.00 0.00 H new ATOM 560 N GLY A 35 -11.684 -2.995 -2.133 1.00 0.00 N ATOM 561 CA GLY A 35 -10.674 -4.028 -1.999 1.00 0.00 C ATOM 562 C GLY A 35 -9.344 -3.623 -2.604 1.00 0.00 C ATOM 563 O GLY A 35 -8.286 -3.961 -2.074 1.00 0.00 O ATOM 0 H GLY A 35 -12.108 -2.927 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.534 -4.259 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.026 -4.940 -2.481 1.00 0.00 H new ATOM 567 N TRP A 36 -9.397 -2.897 -3.716 1.00 0.00 N ATOM 568 CA TRP A 36 -8.186 -2.447 -4.393 1.00 0.00 C ATOM 569 C TRP A 36 -7.892 -0.986 -4.068 1.00 0.00 C ATOM 570 O TRP A 36 -8.713 -0.105 -4.325 1.00 0.00 O ATOM 571 CB TRP A 36 -8.325 -2.627 -5.905 1.00 0.00 C ATOM 572 CG TRP A 36 -8.865 -3.969 -6.297 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.120 -4.245 -6.757 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.165 -5.218 -6.264 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.244 -5.590 -7.011 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.057 -6.208 -6.716 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.870 -5.595 -5.897 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.695 -7.550 -6.811 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.512 -6.927 -5.990 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.421 -7.890 -6.445 1.00 0.00 C ATOM 0 H TRP A 36 -10.265 -2.608 -4.167 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.354 -3.054 -4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.982 -1.851 -6.297 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.350 -2.485 -6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.901 -3.513 -6.900 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.083 -6.053 -7.362 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.162 -4.859 -5.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.394 -8.295 -7.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.515 -7.230 -5.707 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.110 -8.922 -6.508 1.00 0.00 H new ATOM 591 N TRP A 37 -6.716 -0.736 -3.503 1.00 0.00 N ATOM 592 CA TRP A 37 -6.312 0.619 -3.143 1.00 0.00 C ATOM 593 C TRP A 37 -5.084 1.050 -3.938 1.00 0.00 C ATOM 594 O TRP A 37 -4.366 0.217 -4.491 1.00 0.00 O ATOM 595 CB TRP A 37 -6.019 0.706 -1.644 1.00 0.00 C ATOM 596 CG TRP A 37 -7.242 0.948 -0.813 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.499 0.468 -1.044 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.324 1.732 0.383 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.358 0.904 -0.064 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.661 1.682 0.823 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.398 2.470 1.125 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.092 2.342 1.971 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.827 3.125 2.265 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.164 3.056 2.678 1.00 0.00 C ATOM 0 H TRP A 37 -6.025 -1.454 -3.284 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.134 1.292 -3.385 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.545 -0.220 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.303 1.509 -1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.778 -0.162 -1.876 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.352 0.684 -0.006 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.365 2.528 0.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.122 2.292 2.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.120 3.699 2.846 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.468 3.578 3.573 1.00 0.00 H new ATOM 615 N SER A 38 -4.848 2.357 -3.992 1.00 0.00 N ATOM 616 CA SER A 38 -3.706 2.899 -4.719 1.00 0.00 C ATOM 617 C SER A 38 -2.686 3.503 -3.759 1.00 0.00 C ATOM 618 O SER A 38 -3.021 3.871 -2.633 1.00 0.00 O ATOM 619 CB SER A 38 -4.169 3.958 -5.721 1.00 0.00 C ATOM 620 OG SER A 38 -5.111 3.420 -6.633 1.00 0.00 O ATOM 0 H SER A 38 -5.433 3.060 -3.541 1.00 0.00 H new ATOM 0 HA SER A 38 -3.230 2.081 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.614 4.798 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.310 4.346 -6.268 1.00 0.00 H new ATOM 0 HG SER A 38 -5.272 4.063 -7.354 1.00 0.00 H new ATOM 626 N GLY A 39 -1.441 3.601 -4.212 1.00 0.00 N ATOM 627 CA GLY A 39 -0.391 4.161 -3.381 1.00 0.00 C ATOM 628 C GLY A 39 0.851 4.514 -4.174 1.00 0.00 C ATOM 629 O GLY A 39 0.922 4.258 -5.376 1.00 0.00 O ATOM 0 H GLY A 39 -1.140 3.303 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.765 5.055 -2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.129 3.446 -2.601 1.00 0.00 H new ATOM 633 N THR A 40 1.833 5.105 -3.501 1.00 0.00 N ATOM 634 CA THR A 40 3.079 5.495 -4.151 1.00 0.00 C ATOM 635 C THR A 40 4.266 5.294 -3.215 1.00 0.00 C ATOM 636 O THR A 40 4.367 5.945 -2.175 1.00 0.00 O ATOM 637 CB THR A 40 3.009 6.955 -4.600 1.00 0.00 C ATOM 638 OG1 THR A 40 1.807 7.206 -5.307 1.00 0.00 O ATOM 639 CG2 THR A 40 4.160 7.363 -5.493 1.00 0.00 C ATOM 0 H THR A 40 1.790 5.324 -2.506 1.00 0.00 H new ATOM 0 HA THR A 40 3.218 4.860 -5.026 1.00 0.00 H new ATOM 0 HB THR A 40 3.057 7.541 -3.682 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.781 8.146 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.048 8.410 -5.775 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.100 7.229 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.162 6.744 -6.390 1.00 0.00 H new ATOM 647 N LEU A 41 5.164 4.390 -3.593 1.00 0.00 N ATOM 648 CA LEU A 41 6.345 4.103 -2.787 1.00 0.00 C ATOM 649 C LEU A 41 7.415 5.172 -2.992 1.00 0.00 C ATOM 650 O LEU A 41 7.611 6.040 -2.141 1.00 0.00 O ATOM 651 CB LEU A 41 6.905 2.722 -3.141 1.00 0.00 C ATOM 652 CG LEU A 41 6.927 1.718 -1.985 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.338 0.384 -2.421 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.345 1.531 -1.466 1.00 0.00 C ATOM 0 H LEU A 41 5.096 3.844 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 41 6.051 4.108 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.312 2.304 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.921 2.844 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 41 6.314 2.115 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.363 -0.315 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.307 0.529 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.922 -0.019 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.340 0.814 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.980 1.158 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.732 2.486 -1.111 1.00 0.00 H new ATOM 666 N ASN A 42 8.104 5.104 -4.127 1.00 0.00 N ATOM 667 CA ASN A 42 9.153 6.066 -4.445 1.00 0.00 C ATOM 668 C ASN A 42 8.778 6.892 -5.672 1.00 0.00 C ATOM 669 O ASN A 42 8.441 8.070 -5.560 1.00 0.00 O ATOM 670 CB ASN A 42 10.480 5.345 -4.688 1.00 0.00 C ATOM 671 CG ASN A 42 11.109 4.845 -3.402 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.415 4.390 -2.493 1.00 0.00 O ATOM 673 ND2 ASN A 42 12.432 4.927 -3.320 1.00 0.00 N ATOM 0 H ASN A 42 7.954 4.392 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 42 9.264 6.739 -3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.315 4.503 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.172 6.022 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.912 4.606 -2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.968 5.311 -4.098 1.00 0.00 H new ATOM 680 N ASN A 43 8.837 6.264 -6.841 1.00 0.00 N ATOM 681 CA ASN A 43 8.502 6.939 -8.090 1.00 0.00 C ATOM 682 C ASN A 43 7.664 6.037 -8.991 1.00 0.00 C ATOM 683 O ASN A 43 7.671 6.185 -10.213 1.00 0.00 O ATOM 684 CB ASN A 43 9.777 7.367 -8.820 1.00 0.00 C ATOM 685 CG ASN A 43 10.659 6.188 -9.182 1.00 0.00 C ATOM 686 OD1 ASN A 43 11.616 5.874 -8.475 1.00 0.00 O ATOM 687 ND2 ASN A 43 10.339 5.527 -10.289 1.00 0.00 N ATOM 0 H ASN A 43 9.114 5.288 -6.950 1.00 0.00 H new ATOM 0 HA ASN A 43 7.915 7.825 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.509 7.909 -9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.338 8.058 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.896 4.724 -10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.537 5.822 -10.845 1.00 0.00 H new ATOM 694 N LYS A 44 6.942 5.102 -8.381 1.00 0.00 N ATOM 695 CA LYS A 44 6.099 4.177 -9.129 1.00 0.00 C ATOM 696 C LYS A 44 4.676 4.174 -8.580 1.00 0.00 C ATOM 697 O LYS A 44 4.462 4.355 -7.381 1.00 0.00 O ATOM 698 CB LYS A 44 6.682 2.764 -9.076 1.00 0.00 C ATOM 699 CG LYS A 44 8.005 2.624 -9.812 1.00 0.00 C ATOM 700 CD LYS A 44 8.668 1.288 -9.519 1.00 0.00 C ATOM 701 CE LYS A 44 7.966 0.148 -10.239 1.00 0.00 C ATOM 702 NZ LYS A 44 8.314 0.108 -11.686 1.00 0.00 N ATOM 0 H LYS A 44 6.924 4.965 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 44 6.069 4.510 -10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.823 2.477 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.962 2.066 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.838 2.721 -10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.673 3.434 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.713 1.324 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.657 1.103 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.240 -0.799 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.887 0.258 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.856 -0.713 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.984 0.980 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.345 0.029 -11.793 1.00 0.00 H new ATOM 716 N LEU A 45 3.705 3.968 -9.464 1.00 0.00 N ATOM 717 CA LEU A 45 2.302 3.943 -9.067 1.00 0.00 C ATOM 718 C LEU A 45 1.654 2.613 -9.442 1.00 0.00 C ATOM 719 O LEU A 45 1.936 2.050 -10.500 1.00 0.00 O ATOM 720 CB LEU A 45 1.544 5.101 -9.724 1.00 0.00 C ATOM 721 CG LEU A 45 0.694 5.941 -8.769 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.257 7.233 -9.441 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.516 5.148 -8.297 1.00 0.00 C ATOM 0 H LEU A 45 3.864 3.816 -10.460 1.00 0.00 H new ATOM 0 HA LEU A 45 2.253 4.056 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.264 5.755 -10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.897 4.697 -10.503 1.00 0.00 H new ATOM 0 HG LEU A 45 1.300 6.195 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.347 7.818 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.137 7.808 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.333 7.001 -10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.110 5.760 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.124 4.865 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.182 4.250 -7.777 1.00 0.00 H new ATOM 735 N GLY A 46 0.784 2.117 -8.568 1.00 0.00 N ATOM 736 CA GLY A 46 0.109 0.858 -8.825 1.00 0.00 C ATOM 737 C GLY A 46 -1.035 0.606 -7.863 1.00 0.00 C ATOM 738 O GLY A 46 -1.390 1.476 -7.068 1.00 0.00 O ATOM 0 H GLY A 46 0.534 2.565 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.272 0.856 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.828 0.042 -8.751 1.00 0.00 H new ATOM 742 N LEU A 47 -1.615 -0.589 -7.934 1.00 0.00 N ATOM 743 CA LEU A 47 -2.727 -0.952 -7.061 1.00 0.00 C ATOM 744 C LEU A 47 -2.482 -2.305 -6.401 1.00 0.00 C ATOM 745 O LEU A 47 -1.693 -3.113 -6.892 1.00 0.00 O ATOM 746 CB LEU A 47 -4.036 -0.988 -7.852 1.00 0.00 C ATOM 747 CG LEU A 47 -4.188 0.109 -8.909 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.784 -0.411 -10.279 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.618 0.630 -8.935 1.00 0.00 C ATOM 0 H LEU A 47 -1.334 -1.321 -8.586 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.803 -0.195 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.119 -1.958 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.868 -0.913 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.526 0.934 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.899 0.382 -11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.744 -0.735 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.420 -1.254 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.708 1.409 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.299 -0.187 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.873 1.042 -7.959 1.00 0.00 H new ATOM 761 N PHE A 48 -3.164 -2.546 -5.286 1.00 0.00 N ATOM 762 CA PHE A 48 -3.022 -3.803 -4.559 1.00 0.00 C ATOM 763 C PHE A 48 -4.136 -3.964 -3.527 1.00 0.00 C ATOM 764 O PHE A 48 -4.782 -2.990 -3.141 1.00 0.00 O ATOM 765 CB PHE A 48 -1.656 -3.879 -3.868 1.00 0.00 C ATOM 766 CG PHE A 48 -1.065 -2.538 -3.536 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.816 -1.578 -2.877 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.242 -2.238 -3.884 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.274 -0.344 -2.571 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.790 -1.007 -3.581 1.00 0.00 C ATOM 771 CZ PHE A 48 0.031 -0.058 -2.924 1.00 0.00 C ATOM 0 H PHE A 48 -3.820 -1.888 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.096 -4.616 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.756 -4.458 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.964 -4.421 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.837 -1.797 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.840 -2.976 -4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.870 0.396 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.811 -0.787 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.457 0.906 -2.687 1.00 0.00 H new ATOM 781 N PRO A 49 -4.378 -5.204 -3.067 1.00 0.00 N ATOM 782 CA PRO A 49 -5.423 -5.491 -2.078 1.00 0.00 C ATOM 783 C PRO A 49 -5.230 -4.707 -0.784 1.00 0.00 C ATOM 784 O PRO A 49 -4.155 -4.732 -0.184 1.00 0.00 O ATOM 785 CB PRO A 49 -5.275 -6.994 -1.818 1.00 0.00 C ATOM 786 CG PRO A 49 -4.564 -7.525 -3.014 1.00 0.00 C ATOM 787 CD PRO A 49 -3.658 -6.422 -3.477 1.00 0.00 C ATOM 0 HA PRO A 49 -6.410 -5.205 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.708 -7.183 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.247 -7.470 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.994 -8.420 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.270 -7.805 -3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.675 -6.485 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.502 -6.454 -4.555 1.00 0.00 H new ATOM 795 N SER A 50 -6.281 -4.013 -0.361 1.00 0.00 N ATOM 796 CA SER A 50 -6.239 -3.220 0.863 1.00 0.00 C ATOM 797 C SER A 50 -6.058 -4.106 2.093 1.00 0.00 C ATOM 798 O SER A 50 -5.658 -3.632 3.156 1.00 0.00 O ATOM 799 CB SER A 50 -7.519 -2.393 1.002 1.00 0.00 C ATOM 800 OG SER A 50 -8.103 -2.140 -0.264 1.00 0.00 O ATOM 0 H SER A 50 -7.176 -3.983 -0.850 1.00 0.00 H new ATOM 0 HA SER A 50 -5.382 -2.550 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.231 -2.923 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.293 -1.449 1.497 1.00 0.00 H new ATOM 0 HG SER A 50 -7.806 -1.266 -0.592 1.00 0.00 H new ATOM 806 N ASN A 51 -6.365 -5.392 1.948 1.00 0.00 N ATOM 807 CA ASN A 51 -6.246 -6.335 3.055 1.00 0.00 C ATOM 808 C ASN A 51 -4.802 -6.447 3.537 1.00 0.00 C ATOM 809 O ASN A 51 -4.552 -6.799 4.690 1.00 0.00 O ATOM 810 CB ASN A 51 -6.763 -7.713 2.633 1.00 0.00 C ATOM 811 CG ASN A 51 -7.623 -8.359 3.701 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.732 -7.904 3.981 1.00 0.00 O ATOM 813 ND2 ASN A 51 -7.115 -9.427 4.304 1.00 0.00 N ATOM 0 H ASN A 51 -6.697 -5.804 1.076 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.851 -5.959 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.341 -7.615 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.917 -8.363 2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.648 -9.904 5.031 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.191 -9.770 4.041 1.00 0.00 H new ATOM 820 N PHE A 52 -3.852 -6.144 2.656 1.00 0.00 N ATOM 821 CA PHE A 52 -2.440 -6.213 3.013 1.00 0.00 C ATOM 822 C PHE A 52 -2.038 -5.006 3.862 1.00 0.00 C ATOM 823 O PHE A 52 -2.128 -5.059 5.087 1.00 0.00 O ATOM 824 CB PHE A 52 -1.573 -6.301 1.753 1.00 0.00 C ATOM 825 CG PHE A 52 -1.362 -7.708 1.269 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.310 -8.328 0.471 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.217 -8.409 1.612 1.00 0.00 C ATOM 828 CE1 PHE A 52 -2.120 -9.622 0.024 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.021 -9.703 1.167 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.974 -10.310 0.372 1.00 0.00 C ATOM 0 H PHE A 52 -4.034 -5.850 1.696 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.279 -7.114 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.039 -5.718 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.604 -5.845 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.207 -7.794 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.531 -7.939 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.867 -10.095 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.876 -10.239 1.440 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.823 -11.321 0.023 1.00 0.00 H new ATOM 840 N VAL A 53 -1.594 -3.927 3.197 1.00 0.00 N ATOM 841 CA VAL A 53 -1.176 -2.680 3.859 1.00 0.00 C ATOM 842 C VAL A 53 -1.664 -2.572 5.304 1.00 0.00 C ATOM 843 O VAL A 53 -2.765 -3.013 5.634 1.00 0.00 O ATOM 844 CB VAL A 53 -1.669 -1.448 3.080 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.912 -1.308 1.768 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.167 -1.537 2.833 1.00 0.00 C ATOM 0 H VAL A 53 -1.514 -3.895 2.181 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.086 -2.709 3.872 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.476 -0.559 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.274 -0.431 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.153 -1.194 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.071 -2.198 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.498 -0.657 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.388 -2.433 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.691 -1.584 3.788 1.00 0.00 H new ATOM 856 N LYS A 54 -0.850 -1.962 6.161 1.00 0.00 N ATOM 857 CA LYS A 54 -1.220 -1.792 7.560 1.00 0.00 C ATOM 858 C LYS A 54 -1.186 -0.324 7.972 1.00 0.00 C ATOM 859 O LYS A 54 -0.134 0.311 7.959 1.00 0.00 O ATOM 860 CB LYS A 54 -0.301 -2.614 8.467 1.00 0.00 C ATOM 861 CG LYS A 54 -1.047 -3.392 9.540 1.00 0.00 C ATOM 862 CD LYS A 54 -0.868 -2.763 10.914 1.00 0.00 C ATOM 863 CE LYS A 54 0.099 -3.564 11.772 1.00 0.00 C ATOM 864 NZ LYS A 54 1.459 -2.959 11.787 1.00 0.00 N ATOM 0 H LYS A 54 0.063 -1.580 5.913 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.242 -2.152 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.271 -3.311 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.416 -1.947 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.108 -3.430 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.688 -4.421 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.499 -1.743 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.834 -2.700 11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.283 -3.623 12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.160 -4.585 11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.088 -3.534 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.835 -2.925 10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.405 -1.994 12.171 1.00 0.00 H new ATOM 878 N GLU A 55 -2.348 0.206 8.343 1.00 0.00 N ATOM 879 CA GLU A 55 -2.456 1.598 8.762 1.00 0.00 C ATOM 880 C GLU A 55 -1.659 1.849 10.038 1.00 0.00 C ATOM 881 O GLU A 55 -1.700 1.051 10.975 1.00 0.00 O ATOM 882 CB GLU A 55 -3.923 1.973 8.982 1.00 0.00 C ATOM 883 CG GLU A 55 -4.149 3.465 9.168 1.00 0.00 C ATOM 884 CD GLU A 55 -5.590 3.873 8.924 1.00 0.00 C ATOM 885 OE1 GLU A 55 -6.378 3.023 8.459 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.930 5.043 9.200 1.00 0.00 O ATOM 0 H GLU A 55 -3.228 -0.309 8.362 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.042 2.222 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.509 1.629 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.296 1.445 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.862 3.749 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.500 4.015 8.487 1.00 0.00 H new ATOM 893 N LEU A 56 -0.935 2.963 10.067 1.00 0.00 N ATOM 894 CA LEU A 56 -0.129 3.322 11.228 1.00 0.00 C ATOM 895 C LEU A 56 -0.838 4.371 12.078 1.00 0.00 C ATOM 896 O LEU A 56 -1.328 4.073 13.168 1.00 0.00 O ATOM 897 CB LEU A 56 1.239 3.845 10.782 1.00 0.00 C ATOM 898 CG LEU A 56 2.381 2.831 10.873 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.662 3.416 10.298 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.591 2.396 12.316 1.00 0.00 C ATOM 0 H LEU A 56 -0.890 3.633 9.299 1.00 0.00 H new ATOM 0 HA LEU A 56 0.013 2.427 11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.161 4.190 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.495 4.713 11.390 1.00 0.00 H new ATOM 0 HG LEU A 56 2.112 1.954 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.463 2.680 10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.505 3.678 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.938 4.309 10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.407 1.675 12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.839 3.265 12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.678 1.936 12.694 1.00 0.00 H new ATOM 912 N GLU A 57 -0.890 5.599 11.572 1.00 0.00 N ATOM 913 CA GLU A 57 -1.541 6.693 12.285 1.00 0.00 C ATOM 914 C GLU A 57 -0.877 6.933 13.637 1.00 0.00 C ATOM 915 O GLU A 57 -0.996 6.118 14.552 1.00 0.00 O ATOM 916 CB GLU A 57 -3.027 6.389 12.480 1.00 0.00 C ATOM 917 CG GLU A 57 -3.846 6.514 11.206 1.00 0.00 C ATOM 918 CD GLU A 57 -5.339 6.467 11.466 1.00 0.00 C ATOM 919 OE1 GLU A 57 -5.844 5.384 11.830 1.00 0.00 O ATOM 920 OE2 GLU A 57 -6.003 7.513 11.305 1.00 0.00 O ATOM 0 H GLU A 57 -0.489 5.862 10.671 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.438 7.597 11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.134 5.378 12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.433 7.067 13.231 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.597 7.451 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.574 5.709 10.523 1.00 0.00 H new ATOM 927 N LEU A 58 -0.180 8.058 13.756 1.00 0.00 N ATOM 928 CA LEU A 58 0.503 8.406 14.997 1.00 0.00 C ATOM 929 C LEU A 58 0.338 9.890 15.311 1.00 0.00 C ATOM 930 O LEU A 58 0.258 10.720 14.406 1.00 0.00 O ATOM 931 CB LEU A 58 1.989 8.055 14.903 1.00 0.00 C ATOM 932 CG LEU A 58 2.289 6.585 14.604 1.00 0.00 C ATOM 933 CD1 LEU A 58 3.548 6.457 13.761 1.00 0.00 C ATOM 934 CD2 LEU A 58 2.430 5.797 15.898 1.00 0.00 C ATOM 0 H LEU A 58 -0.073 8.744 13.009 1.00 0.00 H new ATOM 0 HA LEU A 58 0.052 7.829 15.804 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.443 8.668 14.125 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.471 8.325 15.843 1.00 0.00 H new ATOM 0 HG LEU A 58 1.454 6.172 14.038 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.745 5.404 13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.411 6.988 12.819 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.392 6.887 14.300 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.643 4.753 15.667 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.246 6.212 16.490 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.502 5.861 16.466 1.00 0.00 H new ATOM 946 N GLU A 59 0.288 10.216 16.598 1.00 0.00 N ATOM 947 CA GLU A 59 0.132 11.600 17.031 1.00 0.00 C ATOM 948 C GLU A 59 1.448 12.361 16.903 1.00 0.00 C ATOM 949 O GLU A 59 1.513 13.401 16.247 1.00 0.00 O ATOM 950 CB GLU A 59 -0.361 11.652 18.478 1.00 0.00 C ATOM 951 CG GLU A 59 -0.644 13.060 18.975 1.00 0.00 C ATOM 952 CD GLU A 59 -0.702 13.144 20.487 1.00 0.00 C ATOM 953 OE1 GLU A 59 0.354 12.975 21.132 1.00 0.00 O ATOM 954 OE2 GLU A 59 -1.804 13.379 21.027 1.00 0.00 O ATOM 0 H GLU A 59 0.353 9.541 17.360 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.607 12.075 16.386 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.269 11.056 18.565 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.386 11.191 19.124 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.130 13.734 18.607 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.591 13.405 18.559 1.00 0.00 H new ATOM 961 N HIS A 60 2.493 11.837 17.534 1.00 0.00 N ATOM 962 CA HIS A 60 3.807 12.468 17.490 1.00 0.00 C ATOM 963 C HIS A 60 4.417 12.359 16.096 1.00 0.00 C ATOM 964 O HIS A 60 5.338 13.146 15.792 1.00 0.00 O ATOM 965 CB HIS A 60 4.739 11.825 18.519 1.00 0.00 C ATOM 966 CG HIS A 60 4.186 11.825 19.910 1.00 0.00 C ATOM 967 ND1 HIS A 60 4.064 12.968 20.672 1.00 0.00 N ATOM 968 CD2 HIS A 60 3.719 10.812 20.679 1.00 0.00 C ATOM 969 CE1 HIS A 60 3.548 12.659 21.848 1.00 0.00 C ATOM 970 NE2 HIS A 60 3.329 11.357 21.877 1.00 0.00 N ATOM 0 H HIS A 60 2.456 10.977 18.082 1.00 0.00 H new ATOM 0 HA HIS A 60 3.684 13.524 17.731 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.945 10.798 18.219 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.691 12.355 18.515 1.00 0.00 H new ATOM 0 HD2 HIS A 60 3.664 9.770 20.401 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.341 13.353 22.649 1.00 0.00 H new ATOM 0 HE2 HIS A 60 2.934 10.840 22.663 1.00 0.00 H new TER 979 HIS A 60